BOLIVIANINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H30O3
Molecular Weight	378.5039
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@]34[C@H]5C[C@H]6C(C)=CC[C@@]([H])([C@@]1(C)[C@@H]7C[C@@H]7C2=C)[C@@]36OC(=O)C4=COC5(C)C

InChI

InChIKey=DKDFCCZFRBMDLE-ZTJJBFDGSA-N

InChI=1S/C25H30O3/c1-12-6-7-19-23(5)16-8-14(16)13(2)17(23)10-24-18-11-27-22(3,4)20(24)9-15(12)25(19,24)28-21(18)26/h6,11,14-17,19-20H,2,7-10H2,1,3-5H3/t14-,15+,16-,17+,19+,20+,23+,24-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H30O3
Molecular Weight	378.5039
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 `Sat Dec 16 14:17:08 GMT 2023` Edited by `admin` on `Sat Dec 16 14:17:08 GMT 2023`
Record UNII	SC4I7FBZ6S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BOLIVIANINE

Common Name

English

1,7-METHANO-5H-CYCLOPROPA(3'',4'')CYCLOPENTA(1'',2'':3',4')NAPHTHO(1',8'A:4,5)FURO(3,4-C)PYRAN-5-ONE, 1,2,7,10,10A,10B,10C,11,11A,12,12A,13-DODECAHYDRO-2,2,8,10B-TETRAMETHYL-12-METHYLENE-, (1R,6AR,7S,10AS,10BS,10CR,11AS,12AS,13AS)-

Systematic Name

English

BOLIVIANINE [MI]

Common Name

English

(-)-BOLIVIANINE

Common Name

English

Code System Code Type Description

PUBCHEM

23727535

Created by admin on Sat Dec 16 14:17:08 GMT 2023 , Edited by admin on Sat Dec 16 14:17:08 GMT 2023

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CAS

958296-41-8

Created by admin on Sat Dec 16 14:17:08 GMT 2023 , Edited by admin on Sat Dec 16 14:17:08 GMT 2023

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MERCK INDEX

m11782

Created by admin on Sat Dec 16 14:17:08 GMT 2023 , Edited by admin on Sat Dec 16 14:17:08 GMT 2023

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FDA UNII

SC4I7FBZ6S

Created by admin on Sat Dec 16 14:17:08 GMT 2023 , Edited by admin on Sat Dec 16 14:17:08 GMT 2023

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