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(3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

(3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

CAS: 471-66-9

Formula: C30H48O3

SMILES: [H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C

IUPAC: (3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid

InChI: InChI=1S/C30H48O3/c1-25(2)14-15-26(3)16-17-28(5)19(20(26)18-25)8-9-21-27(4)12-11-23(31)30(7,24(32)33)22(27)10-13-29(21,28)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21+,22+,23+,26+,27-,28+,29+,30+/m1/s1

Composition: C (78.90%), H (10.59%), O (10.51%)

Molar Mass: 456.711

Atom Count: 81

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 9
Exact Mass 456.360345406
Formal Charge 0
FSP3 0.9
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey BZXULBWGROURAF-IKNLXHIFSA-N
Lipinski's Rule of Five
Molar Refractivity 133.62
Topological Polar Surface Area 57.53
Polarizability 53.23
Ring Count 5
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
98.4% <7 Days 471-66-9 $177.65-$280.50$177.65$280.50
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