BALSAMINAPENTAOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H50O5
Molecular Weight	490.715
Optical Activity	( + )
Defined Stereocenters	12 / 12
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@H](O)C(C)=C

InChI

InChIKey=LJWAEAIXBCCHLR-ITWKNSBQSA-N

InChI=1S/C30H50O5/c1-17(2)25(35)22(32)14-18(3)19-10-11-30(7)26-23(33)15-21-20(8-9-24(34)28(21,5)16-31)27(26,4)12-13-29(19,30)6/h15,18-20,22-26,31-35H,1,8-14,16H2,2-7H3/t18-,19-,20-,22-,23+,24+,25-,26-,27+,28-,29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H50O5
Molecular Weight	490.715
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:59:16 GMT 2023` Edited by `admin` on `Sat Dec 16 16:59:16 GMT 2023`
Record UNII	2T3PK8ZV3C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BALSAMINAPENTAOL

Common Name

English

(3.BETA.,4.BETA.,7.BETA.,9.BETA.,10.ALPHA.,23R,24R)-4-(HYDROXYMETHYL)-4,9,14-TRIMETHYL-19-NORCHOLESTA-5,25-DIENE-3,7,23,24-TETROL

Systematic Name

English

Balsaminapentaol A

Common Name

English

19-Norcholesta-5,25-diene-3,7,23,24-tetrol, 4-(hydroxymethyl)-4,9,14-trimethyl-, (3β,4β,7β,9β,10α,23R,24R)-

Systematic Name

English

(1R,3aS,3bR,4S,6S,7S,9aS,9bS,11aR)-1-[(2R,4R,5R)-4,5-dihydroxy-6-methylhept-6-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

PUBCHEM

44607275