3-ISOVERRUCARIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H34O9
Molecular Weight	502.5535
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12O[C@]3([H])C=C(C)CC[C@@]34COC(=O)[C@@H](O)[C@H](C)CCOC(=O)\C=C\C=CC(=O)O[C@@H]1C[C@@]4(C)[C@]25CO5

InChI

InChIKey=HVHXEAFVLNDWPE-FMHYEKOFSA-N

InChI=1S/C27H34O9/c1-16-8-10-26-14-33-24(31)22(30)17(2)9-11-32-20(28)6-4-5-7-21(29)35-18-13-25(26,3)27(15-34-27)23(18)36-19(26)12-16/h4-7,12,17-19,22-23,30H,8-11,13-15H2,1-3H3/b6-4+,7-5-/t17-,18-,19-,22+,23-,25-,26-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H34O9
Molecular Weight	502.5535
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:07:27 GMT 2023` Edited by `admin` on `Sat Dec 16 12:07:27 GMT 2023`
Record UNII	00M2J0XB1G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-ISOVERRUCARIN A

Common Name

English

SPIRO(OXIRANE-2,25'-(19H-2,18A,13)(1,2,3)PROPANETRIYL(16H,18H-1,4,11,17)BENZOTETRAOXACYCLOEICOSIN)-5',10',16'-TRIONE, 2',3',12',13',14',15',20',22'A-HEXAHYDRO-15'-HYDROXY-14',21',24'-TRIMETHYL-, (2'R-(2'R*,3'R*,6'Z,8'E,14'R*,15'S*,18'AR*,22'AR*,24'R*,25'

Systematic Name

English

Code System Code Type Description

CAS

123116-07-4

Created by admin on Sat Dec 16 12:07:27 GMT 2023 , Edited by admin on Sat Dec 16 12:07:27 GMT 2023

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FDA UNII

00M2J0XB1G

Created by admin on Sat Dec 16 12:07:27 GMT 2023 , Edited by admin on Sat Dec 16 12:07:27 GMT 2023

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PUBCHEM

14218211

Created by admin on Sat Dec 16 12:07:27 GMT 2023 , Edited by admin on Sat Dec 16 12:07:27 GMT 2023

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