Glyyunnansapogenin B

CAT: 0926-XG176160-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-XG176160-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

20528-70-5

Smiles

[H][C@@]12C[C@@] (C) ([C@H] (O) C[C@]1 (C) CC[C@]1 (C) C2=CCC2[C@@]3 (C) CC[C@H] (O) [C@] (C) (CO) C3CC[C@@]12C) C (O) =O

Molecular Formula

C30H48O5

Molecular Weight

488.7 g/mol

Controlled

Chemical Information

Olean-12-en-29-oic acid, 3,21,23-trihydroxy-, (3beta,4beta,20alpha,21alpha)-

CAS Number	20528-70-5
PubChem CID	101664418
IUPAC Name	(2S,3R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bR)-3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
Molecular Formula	C30H48O5
Molecular Weight	488.7
XLogP	6.2
Topological Polar Surface Area	98
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	35
Formal Charge	0
Complexity	945

SMILES

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

InChI

InChI=1S/C30H48O5/c1-25-13-14-29(5)18(19(25)15-27(3,24(34)35)23(33)16-25)7-8-21-26(2)11-10-22(32)28(4,17-31)20(26)9-12-30(21,29)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,25-,26-,27-,28+,29+,30+/m0/s1

InChIKey

ZXWLSOQCDSAYHO-RBGQDQRBSA-N

Chemical Structure

2D Structure

CAS: 20528-70-5

CID: 101664418

Formula: C30H48O5

MW: 488.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	488.7
XLogP3	6.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	488.35017463
Monoisotopic Mass	488.35017463
Topological Polar Surface Area	98 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	945
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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Glyyunnansapogenin B

Chemical Information

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