HOPANE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H52
Molecular Weight	412.7339
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CCCC(C)(C)[C@]5([H])CC[C@@]34C)[C@@]1(C)CC[C@@H]2C(C)C

InChI

InChIKey=ZRLNBWWGLOPJIC-PYQRSULMSA-N

InChI=1S/C30H52/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h20-25H,9-19H2,1-8H3/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H52
Molecular Weight	412.7339
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 17:34:14 GMT 2023` Edited by `admin` on `Sat Dec 16 17:34:14 GMT 2023`
Record UNII	W2H93796GT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HOPANE

Common Name

English

A'-NEOGAMMACERANE

Common Name

English

17.BETA.(H),21.BETA.(H)-HOPANE

Systematic Name

English

(3R-(3.ALPHA.,3A.BETA.,5A.ALPHA.,5B.BETA.,7A.ALPHA.,11A.BETA.,11B.ALPHA.,13A.BETA.,13B.ALPHA.))-EICOSAHYDRO-5A,5B,8,8,11A,13B-HEXAMETHYL-3-(1-METHYLETHYL)-1H-CYCLOPENTA(A)CHRYSENE

Systematic Name

English

1H-CYCLOPENTA(A)CHRYSENE, EICOSAHYDRO-5A,5B,8,8,11A,13B-HEXAMETHYL-3-(1-METHYLETHYL)-, (3R-(3.ALPHA.,3A.BETA.,5A.ALPHA.,5B.BETA.,7A.ALPHA.,11A.BETA.,11B.ALPHA.,13A.BETA.,13B.ALPHA.))-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID00904337