CYASTERONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H44O8
Molecular Weight	520.6549
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@](C)(O)[C@H](O)C[C@@H]5[C@@H](C)OC(=O)[C@H]5C

InChI

InChIKey=NEFYSBQJYCICOG-YSEUJXISSA-N

InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15+,16-,17-,19-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H44O8
Molecular Weight	520.6549
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:43:03 GMT 2023` Edited by `admin` on `Sat Dec 16 08:43:03 GMT 2023`
Record UNII	VWR78EE33V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYASTERONE

Common Name

English

5β-Stigmast-7-en-26-oic acid, 2β,3β,14,20,22,28-hexahydroxy-6-oxo-, γ-lactone, (22R,24S,25S,28R)-

Systematic Name

English

Cyasteron

Systematic Name

English

Stigmast-7-en-26-oic acid, 2,3,14,20,22,28-hexahydroxy-6-oxo-, γ-lactone, (2β,3β,5β,22R,24S,25S,28R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

VWR78EE33V