AGOSTEROL A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H52O8
Molecular Weight	576.7612
Optical Activity	( + )
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](OC(C)=O)[C@H]4[C@@H](OC(C)=O)[C@H](CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C)OC(C)=O

InChI

InChIKey=SUIRSZOPEPPNGJ-JGEDILIOSA-N

InChI=1S/C33H52O8/c1-17(2)9-12-25(37)18(3)23-10-11-24-22-15-28(40-20(5)35)30-31(41-21(6)36)27(39-19(4)34)13-14-32(30,7)29(22)26(38)16-33(23,24)8/h15,17-18,23-31,37-38H,9-14,16H2,1-8H3/t18-,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H52O8
Molecular Weight	576.7612
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:42:55 GMT 2025` Edited by `admin` on `Wed Apr 02 08:42:55 GMT 2025`
Record UNII	YTC6258TAR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AGOSTEROL A

Common Name

English

(1R,3aR,5S,5aS,6R,7S,9aR,9bR,10R,11aR)-6,7-bis(acetyloxy)-10-hydroxy-1-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-yl acetate

Preferred Name

English

CHOLEST-7-ENE-3,4,6,11,22-PENTOL, 3,4,6-TRIACETATE, (3.BETA.,4.BETA.,5.ALPHA.,6.ALPHA.,11.ALPHA.,22R)-

Systematic Name

English

Code System Code Type Description

CAS

213549-32-7