Trichothec-9-ene-3,8-dione,15-(acetyloxy)-12,13-epoxy-4-[(2-methyl-1-oxo-2-propenyl)oxy]-, (4b)- (9CI)

Modify Date: 2025-08-26 19:55:35

Trichothec-9-ene-3,8-dione,15-(acetyloxy)-12,13-epoxy-4-[(2-methyl-1-oxo-2-propenyl)oxy]-, (4b)- (9CI) structure	Common Name	Trichothec-9-ene-3,8-dione,15-(acetyloxy)-12,13-epoxy-4-[(2-methyl-1-oxo-2-propenyl)oxy]-, (4b)- (9CI)
	CAS Number	77620-58-7	Molecular Weight	404.41000
	Density	1.33g/cm3	Boiling Point	537.5ºC at 760mmHg
	Molecular Formula	C₂₁H₂₄O₈	Melting Point	N/A
	MSDS	N/A	Flash Point	234.4ºC

Name	15-acetoxy-4β-(methacryloyloxy)scirpene-3,8-dione

Density	1.33g/cm3
Boiling Point	537.5ºC at 760mmHg
Molecular Formula	C₂₁H₂₄O₈
Molecular Weight	404.41000
Flash Point	234.4ºC
Exact Mass	404.14700
PSA	108.50000
LogP	1.06830
Index of Refraction	1.56
InChIKey	BSXMZJFQPNFQQS-UHFFFAOYSA-N
SMILES	C=C(C)C(=O)OC1C(=O)C2OC3C=C(C)C(=O)CC3(COC(C)=O)C1(C)C21CO1

15-acetoxy-4β-(methacryloyloxy)scirpene-3α,8β-diol structure

15-acetoxy-4β-(...

CAS#:81331-42-2

~78%

Trichothec-9-ene-3,8-dione,15-(acetyloxy)-12,13-epoxy-4-[(2-methyl-1-oxo-2-propenyl)oxy]-, (4b)- (9CI) Structure

Trichothec-9-en...

CAS#:77620-58-7

Literature: Kaneko; Schmitz; Essery; Rose; Howell; O'Herron; Nachfolger; Huftalen; Bradner; Partyka; Doyle; Davies; Cundliffe Journal of Medicinal Chemistry, 1982 , vol. 25, # 5 p. 579 - 589

Diacetoxyscirpenol structure

Diacetoxyscirpenol

CAS#:2270-40-8

~%

Trichothec-9-ene-3,8-dione,15-(acetyloxy)-12,13-epoxy-4-[(2-methyl-1-oxo-2-propenyl)oxy]-, (4b)- (9CI) Structure

Trichothec-9-en...

CAS#:77620-58-7

Literature: Kaneko; Schmitz; Essery; Rose; Howell; O'Herron; Nachfolger; Huftalen; Bradner; Partyka; Doyle; Davies; Cundliffe Journal of Medicinal Chemistry, 1982 , vol. 25, # 5 p. 579 - 589

3α,8β-bis-O-(2-tetrahydropyranyl)scirpene-4β,15-diol structure

3α,8β-bis-O-(2-...

CAS#:81331-40-0

~%

Trichothec-9-ene-3,8-dione,15-(acetyloxy)-12,13-epoxy-4-[(2-methyl-1-oxo-2-propenyl)oxy]-, (4b)- (9CI) Structure

Trichothec-9-en...

CAS#:77620-58-7

Literature: Kaneko; Schmitz; Essery; Rose; Howell; O'Herron; Nachfolger; Huftalen; Bradner; Partyka; Doyle; Davies; Cundliffe Journal of Medicinal Chemistry, 1982 , vol. 25, # 5 p. 579 - 589

15-acetoxy-4β-(methacryloyloxy)-3α,8β-bis-O-(2-tetrahydropyranyl)scirpene structure

15-acetoxy-4β-(...

CAS#:81331-41-1

~%

Trichothec-9-ene-3,8-dione,15-(acetyloxy)-12,13-epoxy-4-[(2-methyl-1-oxo-2-propenyl)oxy]-, (4b)- (9CI) Structure

Trichothec-9-en...

CAS#:77620-58-7

Literature: Kaneko; Schmitz; Essery; Rose; Howell; O'Herron; Nachfolger; Huftalen; Bradner; Partyka; Doyle; Davies; Cundliffe Journal of Medicinal Chemistry, 1982 , vol. 25, # 5 p. 579 - 589

4,15-Bis(acetyloxy)-12,13-epoxy-3-hydroxytrichothec-9-en-8-one (3alpha,4beta)- structure

4,15-Bis(acetyl...

CAS#:77620-47-4

~%

Trichothec-9-ene-3,8-dione,15-(acetyloxy)-12,13-epoxy-4-[(2-methyl-1-oxo-2-propenyl)oxy]-, (4b)- (9CI) Structure

Trichothec-9-en...

CAS#:77620-58-7

Literature: Kaneko; Schmitz; Essery; Rose; Howell; O'Herron; Nachfolger; Huftalen; Bradner; Partyka; Doyle; Davies; Cundliffe Journal of Medicinal Chemistry, 1982 , vol. 25, # 5 p. 579 - 589

Neosolaniol structure

Neosolaniol

CAS#:36519-25-2

~%

Trichothec-9-ene-3,8-dione,15-(acetyloxy)-12,13-epoxy-4-[(2-methyl-1-oxo-2-propenyl)oxy]-, (4b)- (9CI) Structure

Trichothec-9-en...

CAS#:77620-58-7

Literature: Kaneko; Schmitz; Essery; Rose; Howell; O'Herron; Nachfolger; Huftalen; Bradner; Partyka; Doyle; Davies; Cundliffe Journal of Medicinal Chemistry, 1982 , vol. 25, # 5 p. 579 - 589

4β,15-diacetoxy-8α-bromoscirpen-3α-ol structure

4β,15-diacetoxy...

CAS#:81331-38-6

~%

Trichothec-9-ene-3,8-dione,15-(acetyloxy)-12,13-epoxy-4-[(2-methyl-1-oxo-2-propenyl)oxy]-, (4b)- (9CI) Structure

Trichothec-9-en...

CAS#:77620-58-7

Literature: Kaneko; Schmitz; Essery; Rose; Howell; O'Herron; Nachfolger; Huftalen; Bradner; Partyka; Doyle; Davies; Cundliffe Journal of Medicinal Chemistry, 1982 , vol. 25, # 5 p. 579 - 589

Precursor 7
CAS#:81331-42-2 15-acetoxy-4β-(... CAS#:2270-40-8 Diacetoxyscirpenol CAS#:81331-40-0 3α,8β-bis-O-(2-... CAS#:81331-41-1 15-acetoxy-4β-(...
CAS#:77620-47-4 4,15-Bis(acetyl... CAS#:36519-25-2 Neosolaniol CAS#:81331-38-6 4β,15-diacetoxy...
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