Heliantriol B1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H50O3
Molecular Weight	458.7162
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H](O)[C@@]5(CO)CCC(=C)[C@@H](C)[C@]25[H]

InChI

InChIKey=JLWXUZXYUMVXPU-KDYNKMQASA-N

InChI=1S/C30H50O3/c1-18-10-15-30(17-31)24(33)16-29(7)20(25(30)19(18)2)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-28(22,29)6/h19-25,31-33H,1,8-17H2,2-7H3/t19-,20-,21+,22-,23+,24+,25-,27+,28-,29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H50O3
Molecular Weight	458.7162
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 16:34:00 GMT 2023` Edited by `admin` on `Sat Dec 16 16:34:00 GMT 2023`
Record UNII	32JG4DJ7GR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Heliantriol B1

Common Name

English

Urs-20(30)-ene-3,16,28-triol, (3β,16β,18α,19α)-

Common Name

English

(3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,12,14b-hexamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,8-diol

Systematic Name

English

Code System Code Type Description

CAS

74715-48-3

Created by admin on Sat Dec 16 16:34:00 GMT 2023 , Edited by admin on Sat Dec 16 16:34:00 GMT 2023

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PUBCHEM

101281207

Created by admin on Sat Dec 16 16:34:00 GMT 2023 , Edited by admin on Sat Dec 16 16:34:00 GMT 2023

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EPA CompTox

DTXSID801244055

Created by admin on Sat Dec 16 16:34:00 GMT 2023 , Edited by admin on Sat Dec 16 16:34:00 GMT 2023

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FDA UNII

32JG4DJ7GR

Created by admin on Sat Dec 16 16:34:00 GMT 2023 , Edited by admin on Sat Dec 16 16:34:00 GMT 2023

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