11.ALPHA.,12.ALPHA.-EPOXY-3.BETA.,23-DIHYDROXY-30-NOROLEAN-20(29)-EN-28,13.BETA.-OLIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H42O5
Molecular Weight	470.6408
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 11.ALPHA.,12.ALPHA.-EPOXY-3.BETA.,23-DIHYDROXY-30-NOROLEAN-20(29)-EN-28,13.BETA.-OLIDE

Structure Search

SMILES

[H][C@@]12CC(=C)CC[C@]13CC[C@]4(C)[C@]2(OC3=O)[C@H]5O[C@H]5[C@]6([H])[C@@]7(C)CC[C@H](O)[C@@](C)(CO)[C@]7([H])CC[C@@]46C

InChI

InChIKey=WYALGIWVJKDMAS-FJHCYMANSA-N

InChI=1S/C29H42O5/c1-16-6-11-28-13-12-27(5)26(4)10-7-17-24(2,9-8-19(31)25(17,3)15-30)21(26)20-22(33-20)29(27,18(28)14-16)34-23(28)32/h17-22,30-31H,1,6-15H2,2-5H3/t17-,18-,19+,20+,21-,22+,24+,25+,26-,27+,28+,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H42O5
Molecular Weight	470.6408
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:01:02 UTC 2023` Edited by `admin` on `Sat Dec 16 10:01:02 UTC 2023`
Record UNII	BW45NB63RE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

11.ALPHA.,12.ALPHA.-EPOXY-3.BETA.,23-DIHYDROXY-30-NOROLEAN-20(29)-EN-28,13.BETA.-OLIDE

Common Name

English

30-NOROLEAN-20(29)-EN-28-OIC ACID, 11,12-EPOXY-3,13,23-TRIHYDROXY-, .GAMMA.-LACTONE, (3.BETA.,4.ALPHA.,11.ALPHA.,12.ALPHA.)-

Systematic Name

English

(1S,2S,4S,5R,6S,9S,10R,11R,14R,15S,18S,23R)-9-HYDROXY-10-(HYDROXYMETHYL)-6,10,14,15-TETRAMETHYL-21-METHYLIDENE-3,24-DIOXAHEPTACYCLO(16.5.2.01,15.02,4.05,14.06,11.018,23)PENTACOSAN-25-ONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

70698158

Created by admin on Sat Dec 16 10:01:02 UTC 2023 , Edited by admin on Sat Dec 16 10:01:02 UTC 2023

PRIMARY

CAS

186140-36-3

Created by admin on Sat Dec 16 10:01:02 UTC 2023 , Edited by admin on Sat Dec 16 10:01:02 UTC 2023

PRIMARY

FDA UNII

BW45NB63RE

Created by admin on Sat Dec 16 10:01:02 UTC 2023 , Edited by admin on Sat Dec 16 10:01:02 UTC 2023

PRIMARY

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