chempirical

Cucurbitacin D

C30H44O7CAS 3877-86-9516.68 g/mol

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HOOOHHOOHOO
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Properties

Molecular formula
C30H44O7
Molar mass
516.68 g/mol
Exact mass
516.3087 Da
Melting point
149–150 °C (decomposes)
logP
2.93Crippen estimate
Polar surface area
132.1 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
4
Stereocentres
R, R, R, S, S, R, S, R, Rin SMILES atom order
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3877-86-9
SMILES
CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
InChIKey
SRPHMISUTWFFKJ-QJNWWGCFSA-N
InChI
InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • 19-Norlanosta-5,23-diene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (2β,9β,10α,16α,23E)-
  • 19-Nor-9β,10α-lanosta-5,23-diene-3,11,22-trione, 2β,16α,20,25-tetrahydroxy-9-methyl-
  • (2β,9β,10α,16α,23E)-2,16,20,25-Tetrahydroxy-9-methyl-19-norlanosta-5,23-diene-3,11,22-trione
  • Elatericin A
  • NSC 521776
  • Cucurbitacine D
  • Elatericine A
  • NSC 308606
  • (+)-Cucurbitacin D

Work with Cucurbitacin D

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(+)-Cucurbitacin B6199-67-378 % similar Cucurbitacin A6040-19-363 % similar Cucurbitacin E18444-66-155 % similar Dihydrocucurbitacin F50298-90-351 % similar Hemslecin A58546-34-247 % similar Picfeltarraenin X1391826-61-138 % similar Cucurbitacin S60137-06-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ganoderic acid B81907-61-1 Ganoderic acid81907-62-2

Elsewhere

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