LONGISPINOGENIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H50O3
Molecular Weight	458.7162
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC(C)(C)CC[C@]1(CO)[C@@H](O)C[C@]3(C)C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C

InChI

InChIKey=YHGVYECWZWIVJC-MZGFOBBZSA-N

InChI=1S/C30H50O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H50O3
Molecular Weight	458.7162
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:17:01 UTC 2023` Edited by `admin` on `Fri Dec 15 20:17:01 UTC 2023`
Record UNII	71XG0082E9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LONGISPINOGENIN

Common Name

English

PICEN-3-OL, 8,8A-BIS-HYDROXYMETHYL-4,4,6A,6B,11,11,14B-HEPTAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,14,14A,14B-EICOSAHYDRO-, (3S,4AR,5R,6AR,6BS,8S,8AR,12AS,14AR,14BR)

Common Name

English

(3S,4AR,5R,6AR,6BS,8S,8AR,12AS,14AR,14BR)-8,8A-BIS-HYDROXYMETHYL-4,4,6A,6B,11,11,14B-HEPTAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,14,14A,14B-EICOSAHYDRO-PICEN-3-OL

Common Name

English

OLEAN-12-ENE-3.BETA.,16.BETA.,28-TRIOL

Common Name

English

LONGISPINOGEN

Common Name

English

OLEAN-12-ENE-3,16,28-TRIOL, (3.BETA.,16.BETA.)-

Common Name

English

Code System Code Type Description

CAS

465-94-1

Created by admin on Fri Dec 15 20:17:01 UTC 2023 , Edited by admin on Fri Dec 15 20:17:01 UTC 2023

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PUBCHEM

12305725

Created by admin on Fri Dec 15 20:17:01 UTC 2023 , Edited by admin on Fri Dec 15 20:17:01 UTC 2023

PRIMARY

FDA UNII

71XG0082E9

Created by admin on Fri Dec 15 20:17:01 UTC 2023 , Edited by admin on Fri Dec 15 20:17:01 UTC 2023

PRIMARY

EPA CompTox

DTXSID10963596

Created by admin on Fri Dec 15 20:17:01 UTC 2023 , Edited by admin on Fri Dec 15 20:17:01 UTC 2023

PRIMARY

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CALENDULA OFFICINALIS FLOWER

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

CALENDULA OFFICINALIS FLOWER terpenoid