BALSAMINOL A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H50O4
Molecular Weight	474.7156
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2(C)[C@]3([H])[C@@H](O)C=C4[C@@]([H])(CC[C@H](O)[C@]4(C)CO)[C@]3(C)CC[C@]12C)[C@H](C)C[C@@H](O)C=C(C)C

InChI

InChIKey=AVFNYXHRDYAHNF-HEVJPHJFSA-N

InChI=1S/C30H50O4/c1-18(2)14-20(32)15-19(3)21-10-11-30(7)26-24(33)16-23-22(8-9-25(34)28(23,5)17-31)27(26,4)12-13-29(21,30)6/h14,16,19-22,24-26,31-34H,8-13,15,17H2,1-7H3/t19-,20+,21-,22-,24+,25+,26-,27+,28-,29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H50O4
Molecular Weight	474.7156
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:07:33 GMT 2023` Edited by `admin` on `Sat Dec 16 19:07:33 GMT 2023`
Record UNII	XN2W8NF8BB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BALSAMINOL A

Common Name

English

(3β,4β,7β,9β,10α,23R)-4-(Hydroxymethyl)-4,9,14-trimethyl-19-norcholesta-5,24-diene-3,7,23-triol

Systematic Name

English

19-Norcholesta-5,24-diene-3,7,23-triol, 4-(hydroxymethyl)-4,9,14-trimethyl-, (3β,4β,7β,9β,10α,23R)-

Systematic Name

English

(1R,3aS,3bR,4S,6S,7S,9aS,9bS,11aR)-1-[(2R,4R)-4-hydroxy-6-methylhept-5-en-2-yl]-6-(hydroxymethyl)-3a,6,9b,11a-tetramethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-4,7-diol

Systematic Name

English

Code System Code Type Description

CAS

1189131-51-8