11β-Hydroxylupeol

CAT: 0926-ZBA77692-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-ZBA77692-01Size:10 mg

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CAS Number

49776-92-3

Smiles

CC (=C) C1CCC2 (C1C3CC (C4C5 (CCC (C (C5CCC4 (C3 (CC2) C) C) (C) C) O) C) O) C

Molecular Formula

C30H50O2

Molecular Weight

442.7 g/mol

Controlled

Chemical Information

11beta-Hydroxylupeol

11beta-Hydroxylupeol has been reported in Dodonaea viscosa with data available.

CAS Number	49776-92-3
PubChem CID	102428390
IUPAC Name	(1R,3aR,5aR,5bR,7aR,9S,11aS,11bR,12S,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,12-diol
Molecular Formula	C30H50O2
Molecular Weight	442.7
XLogP	8.5
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	32
Formal Charge	0
Complexity	801

SMILES

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3C[C@@H]([C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)O)C

InChI

InChI=1S/C30H50O2/c1-18(2)19-9-12-27(5)15-16-29(7)20(24(19)27)17-21(31)25-28(6)13-11-23(32)26(3,4)22(28)10-14-30(25,29)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,24+,25+,27+,28-,29+,30+/m0/s1

InChIKey

CTSXUIWIOTUWDC-SWCLGKIHSA-N

Chemical Structure

2D Structure

CAS: 49776-92-3

CID: 102428390

Formula: C30H50O2

MW: 442.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	442.7
XLogP3	8.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	442.381080833
Monoisotopic Mass	442.381080833
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	801
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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11β-Hydroxylupeol

Chemical Information

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