Anicequol

Details

Stereochemistry	MIXED
Molecular Formula	C30H48O6
Molecular Weight	504.6985
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 13
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H](OC(C)=O)[C@H]([C@H](C)\C=C\[C@H](C)C(C)C)[C@@]1(C)C[C@H](O)C3[C@@]2([H])[C@@H](O)C(=O)[C@@]4([H])C[C@@H](O)CC[C@]34C

InChI

InChIKey=LWMKDRSIMLTGDK-VKUMDVJMSA-N

InChI=1S/C30H48O6/c1-15(2)16(3)8-9-17(4)25-23(36-18(5)31)13-20-24-26(22(33)14-30(20,25)7)29(6)11-10-19(32)12-21(29)27(34)28(24)35/h8-9,15-17,19-26,28,32-33,35H,10-14H2,1-7H3/b9-8+/t16-,17?,19-,20-,21+,22-,23-,24-,25-,26?,28+,29-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H48O6
Molecular Weight	504.6985
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	11 / 13
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:30:44 GMT 2023` Edited by `admin` on `Sat Dec 16 17:30:44 GMT 2023`
Record UNII	5HJL84XH3J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Anicequol

Common Name

English

(3β,5α,7β,11β,16β,22E)-16-(Acetyloxy)-3,7,11-trihydroxyergost-22-en-6-one

Systematic Name

English

NG 187

Common Name

English

NGA0187

Code

English

ERGOST-22-EN-6-ONE, 16-(ACETYLOXY)-3,7,11-TRIHYDROXY-

Systematic Name

English

NGA-0187

Code

English

NGD-187

Code

English

Code System Code Type Description

CAS

163565-48-8