Bruceanol E

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H38O11
Molecular Weight	550.5947
Optical Activity	( + )
Defined Stereocenters	12 / 12
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@@H](OC(=O)\C=C(/C)C(C)C)C(=O)O[C@]3([H])C[C@@]4([H])[C@H](C)CC(=O)[C@@H](O)[C@]4(C)[C@@]5([H])[C@@H](O)[C@H](O)[C@]1(OC[C@@]235)C(=O)OC

InChI

InChIKey=SXRILXHNZYONKW-XZXXSJTKSA-N

InChI=1S/C28H38O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h8,11,13-14,16,18-23,31-33H,7,9-10H2,1-6H3/b12-8+/t13-,14+,16-,18-,19-,20-,21-,22-,23+,26+,27-,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H38O11
Molecular Weight	550.5947
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:09:12 GMT 2023` Edited by `admin` on `Sat Dec 16 20:09:12 GMT 2023`
Record UNII	SY8GAZ4AAB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Bruceanol E

Common Name

English

2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picrasan-21-oic acid deriv.

Systematic Name

English

(+)-Bruceanol E

Common Name

English

Picrasan-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester, (1β,11β,12α,15β)-

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Bruceanol E

Created by admin on Sat Dec 16 20:09:12 GMT 2023 , Edited by admin on Sat Dec 16 20:09:12 GMT 2023

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FDA UNII

SY8GAZ4AAB

Created by admin on Sat Dec 16 20:09:12 GMT 2023 , Edited by admin on Sat Dec 16 20:09:12 GMT 2023

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CAS

152645-85-7

Created by admin on Sat Dec 16 20:09:12 GMT 2023 , Edited by admin on Sat Dec 16 20:09:12 GMT 2023

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PUBCHEM

91666325

Created by admin on Sat Dec 16 20:09:12 GMT 2023 , Edited by admin on Sat Dec 16 20:09:12 GMT 2023

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