(3S,3aR,5aR,5bS,7aS,10R,11R,11aS,13aS,13bR)-11-Hydroxy-1,3-bis(hydroxymethyl)-3,5a,5b,10,11,13b-hexamethyl-3,3a,4,5,5a,5b,6,7,8,9,10,11,11a,13,13a,13b-hexadecahydro-7aH-cyclopenta[a]chrysene-7a-carbox ylic acid | CAS No. 214285-76-4

(3S,3aR,5aR,5bS,7aS,10R,11R,11aS,13aS,13bR)-11-Hydroxy-1,3-bis(hydroxymethyl)-3,5a,5b,10,11,13b-hexamethyl-3,3a,4,5,5a,5b,6,7,8,9,10,11,11a,13,13a,13b-hexadecahydro-7aH-cyclopenta[a]chrysene-7a-carbox ylic acid

Basic Information

CAS Number

214285-76-4

Molecular Formula

C30H46O5

Molecular Weight

486.69 g/mol

AD

Basic Physical Properties

Physical State

Powder

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

InChI

InChI=1S/C30H46O5/c1-18-9-12-30(24(33)34)14-13-26(3)20(23(30)29(18,6)35)7-8-22-27(26,4)11-10-21-25(2,17-32)15-19(16-31)28(21,22)5/h7,15,18,21-23,31-32,35H,8-14,16-17H2,1-6H3,(H,33,34)/t18-,21+,22+,23-,25-,26-,27-,28+,29-,30+/m1/s1

InChIKey

KQDIKHGGEUXUOH-JNRFZGABSA-N

LogP

4.954400000000005

Topological Polar Surface Area

97.99 Ų

Hydrogen Bond Donor/Acceptor

4 / 5

Synonyms & References

English

  • Rosamultic acid

MDL Number

MFCD30834565

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