Erinacine S

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H34O6
Molecular Weight	430.5339
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=C2[C@H]3CCC4=C(O)C(=O)[C@@]5(O)CO[C@H]6O[C@@H]([C@@H]4[C@@]56O)[C@]3(C)CC[C@@]2(C)CC1

InChI

InChIKey=YQAQVNZGKXQJMK-ACIBSNEHSA-N

InChI=1S/C25H34O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-20(23)31-21-25(17,29)24(28,11-30-21)19(27)18(14)26/h12,15,17,20-21,26,28-29H,5-11H2,1-4H3/t15-,17-,20+,21+,22-,23-,24+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H34O6
Molecular Weight	430.5339
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 `Wed Apr 02 16:57:39 GMT 2025` Edited by `admin` on `Wed Apr 02 16:57:39 GMT 2025`
Record UNII	VAP49EDP7U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Erinacine S

Common Name

English

(2aR,6aR,9aR,11aR,11bS,12aS,12bR,12cR)-2,2a,6,6a,8,9,9a,10,11,11a,11b,12a,12b,12c-Tetradecahydro-2a,4,12b-trihydroxy-9a,11a-dimethyl-7-(1-methylethyl)furo[2,3,4-cd]indeno[5?,4?:4,5]cyclohept[1,2,3-hi]isobenzofuran-3(5H)-one

Preferred Name

English

Furo[2,3,4-cd]indeno[5?,4?:4,5]cyclohept[1,2,3-hi]isobenzofuran-3(5H)-one, 2,2a,6,6a,8,9,9a,10,11,11a,11b,12a,12b,12c-tetradecahydro-2a,4,12b-trihydroxy-9a,11a-dimethyl-7-(1-methylethyl)-, (2aR,6aR,9aR,11aR,11bS,12aS,12bR,12cR)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

127047879

Created by admin on Wed Apr 02 16:57:39 GMT 2025 , Edited by admin on Wed Apr 02 16:57:39 GMT 2025

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FDA UNII

VAP49EDP7U

Created by admin on Wed Apr 02 16:57:39 GMT 2025 , Edited by admin on Wed Apr 02 16:57:39 GMT 2025

PRIMARY

CAS

1858264-85-3

Created by admin on Wed Apr 02 16:57:39 GMT 2025 , Edited by admin on Wed Apr 02 16:57:39 GMT 2025

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Related Record Type Details


					VAP49EDP7U

Erinacine S

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
BRAIN/PLASMA RATIO	PHARMACOKINETIC