CUCURBALSAMINOL A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H50O4
Molecular Weight	474.7156
Optical Activity	( + )
Defined Stereocenters	10 / 10
E/Z Centers	1
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)C4(C)C)[C@]3(C)C[C@@H](O)[C@]12C)[C@H](C)C\C=C\C(C)(C)O

InChI

InChIKey=WFULNIMUTJQIKF-HCLZVIJHSA-N

InChI=1S/C30H50O4/c1-18(10-9-14-26(2,3)34)19-13-15-29(7)25-22(31)16-21-20(11-12-23(32)27(21,4)5)28(25,6)17-24(33)30(19,29)8/h9,14,16,18-20,22-25,31-34H,10-13,15,17H2,1-8H3/b14-9+/t18-,19-,20-,22+,23+,24-,25-,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	10 / 10
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:35:57 GMT 2023` Edited by `admin` on `Sat Dec 16 17:35:57 GMT 2023`
Record UNII	DK3RVK3UAD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CUCURBALSAMINOL A

Common Name

English

(3.BETA.,7.BETA.,9.BETA.,10.ALPHA.,12.BETA.,23E)-4,4,9,14-TETRAMETHYL-19-NORCHOLESTA-5,23-DIENE-3,7,12,25-TETROL

Systematic Name

English

19-Norcholesta-5,23-diene-3,7,12,25-tetrol, 4,4,9,14-tetramethyl-, (3β,7β,9β,10α,12β,23E)-

Systematic Name

English

Code System Code Type Description

FDA UNII

DK3RVK3UAD