Heterobetulonic acid

CAS

946600-73-3

Catalog Number

ACM946600733

Category

Steroidal Compounds

MSDS COA Spec Sheet

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What is the molecular formula of heterobetulonic acid?

The molecular formula of heterobetulonic acid is C30H46O3.

When was heterobetulonic acid created in PubChem?

Heterobetulonic acid was created in PubChem on August 19, 2012.

What is the IUPAC name of heterobetulonic acid?

The IUPAC name of heterobetulonic acid is (1S,4aR,6aR,6aR,6bR,8aR,12aR,14aR,14bR)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,4,5,6,6a,7,8,8a,11,12,13,14,14a,14b-tetradecahydropicene-4a-carboxylic acid.

What is the InChI of heterobetulonic acid?

The InChI of heterobetulonic acid is InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h10,19-22,24H,8-9,11-17H2,1-7H3,(H,32,33)/t19-,20-,21+,22-,24-,27+,28-,29-,30+/m1/s1.

What is the Canonical SMILES of heterobetulonic acid?

The Canonical SMILES of heterobetulonic acid is CC1C2C3CCC4C5(CCC(=O)C(C5CCC4(C3(CCC2(CC=C1C)C(=O)O)C)C)(C)C)C.

What is the XLogP3-AA value of heterobetulonic acid?

The XLogP3-AA value of heterobetulonic acid is 7.1.

What is the hydrogen bond donor count of heterobetulonic acid?

The hydrogen bond donor count of heterobetulonic acid is 1.

What is the hydrogen bond acceptor count of heterobetulonic acid?

The hydrogen bond acceptor count of heterobetulonic acid is 3.

What is the rotatable bond count of heterobetulonic acid?

The rotatable bond count of heterobetulonic acid is 1.

What is the topological polar surface area of heterobetulonic acid?

The topological polar surface area of heterobetulonic acid is 54.4Å².